SCHEMBL6010738

SCHEMBL6010738

Nc1cc(Cl)cc2nc(N3CCCNCC3)oc12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 6/20 0.45
CHRNB2 P17787 5/20 0.42
CHRNA4 P43681 5/20 0.42
CHRNA1 P02708 1/20 0.42
CHRNA7 P36544 1/20 0.42
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
HTR6 P50406 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
ADRB1 P08588 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
CASP1 P29466 1/20 0.35
CASP4 P49662 1/20 0.35
CASP5 P51878 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL6010921 0.99 HRH4 (0.44) HRH4CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL6010820 0.87 HRH4 (0.46) HRH4CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL4158366 0.85 CHRNB2 (0.42) HRH4CHRNB2CHRNA4CHRNA1CHRNA7
Hydrochloric Acid SCHEMBL6010728 0.84 CHRNB2 (0.41) HRH4CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL6010864 0.83 CHRNB2 (0.43) HRH4CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL6010752 0.82 CHRNB2 (0.40) HRH4CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL6010827 0.82 CHRNB2 (0.48) HRH4CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL6010844 0.79 CHRNB2 (0.38) HRH4CHRNB2CHRNA4CHRNA1CHRNA7
Sulfuric Acid SCHEMBL6010918 0.79 HTR6 (0.41) HRH4CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL6010856 0.79 PDE10A (0.44) HRH4CHRNB2CHRNA4HTR3EHTR3B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1134220-A1 BENZOXAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2001-09-19 EP claimed
US-7045516-B1 Benzoxazole derivatives and drugs containing the same as the active ingredient KOICHI SHUDO (JP) 2006-05-16 US disclosed
EP-1134220-B1 BENZOXAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT SHUDO KOICHI (JP) 2004-08-18 EP disclosed
EP-1134220-A1 BENZOXAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2001-09-19 EP disclosed